SIMILAR PATTERNS OF AMINO ACIDS FOR 1NBH_C_SAMC2293

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE


(Homo sapiens)
PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C)
5 ILE A 238
GLY A 274
VAL A 271
ASP A 235
SER A  13
NDP  A 302 (-4.4A)
None
None
None
None
1.04A 1nbhC-1a4iA:
4.4
1nbhC-1a4iA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
5 TYR A  21
GLY A 114
VAL A  95
ALA A  24
SER A 227
FAD  A 510 (-4.4A)
FAD  A 510 (-3.0A)
None
None
None
1.12A 1nbhC-1coyA:
undetectable
1nbhC-1coyA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e3h GUANOSINE
PENTAPHOSPHATE
SYNTHETASE


(Streptomyces
antibioticus)
PF00013
(KH_1)
PF01138
(RNase_PH)
PF03726
(PNPase)
5 ILE A 198
GLY A 158
VAL A 186
ALA A 141
SER A 142
None
1.32A 1nbhC-1e3hA:
0.2
1nbhC-1e3hA:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gpe PROTEIN (GLUCOSE
OXIDASE)


(Penicillium
amagasakiense)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
5 ILE A 555
GLY A 534
VAL A 536
ASP A 537
ALA A 395
None
None
None
None
NAG  A 604 (-3.4A)
1.27A 1nbhC-1gpeA:
1.8
1nbhC-1gpeA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1htr GASTRICSIN
PROGASTRICSIN (PRO
SEGMENT)


(Homo sapiens;
Homo sapiens)
PF00026
(Asp)
PF07966
(A1_Propeptide)
5 ILE B 180
GLY B 170
VAL B 315
ALA P   1
TYR B 176
None
1.29A 1nbhC-1htrB:
undetectable
1nbhC-1htrB:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE


(Pyrococcus
horikoshii)
PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2)
5 GLY A 126
VAL A 123
ASP A 124
ALA A 166
HIS A 227
None
1.23A 1nbhC-1j2bA:
0.5
1nbhC-1j2bA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j6y PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE


(Arabidopsis
thaliana)
PF00639
(Rotamase)
5 VAL A 113
ASP A 108
ALA A  10
SER A  11
SER A 104
None
1.00A 1nbhC-1j6yA:
undetectable
1nbhC-1j6yA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1khu SMAD1

(Homo sapiens)
PF03166
(MH2)
5 ILE A 436
GLY A 333
VAL A 296
SER A 351
TYR A 276
None
1.34A 1nbhC-1khuA:
undetectable
1nbhC-1khuA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE


(Methanosarcina
barkeri)
PF05369
(MtmB)
5 ILE A 135
GLY A 129
VAL A 143
SER A 365
SER A 369
None
None
None
XPL  A 202 ( 2.7A)
None
0.97A 1nbhC-1l2qA:
0.6
1nbhC-1l2qA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pug HYPOTHETICAL UPF0133
PROTEIN YBAB


(Escherichia
coli)
PF02575
(YbaB_DNA_bd)
5 ILE A  84
GLY A  35
VAL A  33
ALA A  39
SER A  37
None
1.27A 1nbhC-1pugA:
undetectable
1nbhC-1pugA:
14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qax PROTEIN
(3-HYDROXY-3-METHYLG
LUTARYL-COENZYME A
REDUCTASE)


(Pseudomonas
mevalonii)
PF00368
(HMG-CoA_red)
5 TYR A  92
ILE A 248
GLY A 367
ALA A  88
MET A  93
HMG  A1002 (-4.0A)
None
HMG  A1002 (-4.5A)
HMG  A1002 (-3.6A)
None
1.22A 1nbhC-1qaxA:
undetectable
1nbhC-1qaxA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA


(Paracoccus
denitrificans)
PF00115
(COX1)
5 ILE A 226
GLY A 286
ALA A 426
SER A 291
HIS A 292
None
1.20A 1nbhC-1qleA:
undetectable
1nbhC-1qleA:
19.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE


(Mus musculus)
PF13847
(Methyltransf_31)
7 GLY A  66
VAL A  69
ALA A  86
SER A  87
MET A  90
TRP A 117
HIS A 142
None
0.65A 1nbhC-1r8yA:
35.0
1nbhC-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE


(Mus musculus)
PF13847
(Methyltransf_31)
8 GLY A  66
VAL A  69
ASP A  70
ALA A  86
SER A  87
MET A  90
TRP A 117
SER A 139
None
0.57A 1nbhC-1r8yA:
35.0
1nbhC-1r8yA:
95.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sde D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE


(Streptomyces
sp. R61)
PF00144
(Beta-lactamase)
5 ILE A 141
GLY A 168
VAL A 166
ALA A 180
HIS A 200
None
1.18A 1nbhC-1sdeA:
undetectable
1nbhC-1sdeA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis)
PF00128
(Alpha-amylase)
5 TYR A 220
ILE A 100
GLY A 207
ASP A  97
MET A 224
None
1.27A 1nbhC-1ua7A:
undetectable
1nbhC-1ua7A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uzn 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE


(Mycobacterium
tuberculosis)
PF13561
(adh_short_C2)
5 TYR A 153
ILE A  27
GLY A 139
ALA A 158
SER A 156
None
NAP  A1249 (-4.1A)
None
None
None
1.15A 1nbhC-1uznA:
5.8
1nbhC-1uznA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ve3 HYPOTHETICAL PROTEIN
PH0226


(Pyrococcus
horikoshii)
PF13649
(Methyltransf_25)
5 GLY A  48
SER A  69
MET A  72
SER A 112
HIS A 115
SAM  A 302 (-3.6A)
SAM  A 302 (-4.7A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.8A)
0.72A 1nbhC-1ve3A:
20.0
1nbhC-1ve3A:
25.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vf8 SECRETORY PROTEIN

(Mus musculus)
PF00704
(Glyco_hydro_18)
5 ILE A 226
GLY A 242
VAL A 188
ALA A 245
SER A 205
None
1.21A 1nbhC-1vf8A:
undetectable
1nbhC-1vf8A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG


(Bacillus
subtilis)
PF05343
(Peptidase_M42)
5 ILE A 240
GLY A 299
ALA A 304
SER A 302
HIS A  68
None
None
None
None
ZN  A 372 (-3.5A)
1.18A 1nbhC-1vheA:
undetectable
1nbhC-1vheA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wls L-ASPARAGINASE

(Pyrococcus
horikoshii)
PF00710
(Asparaginase)
5 TYR A 168
ILE A 138
GLY A 322
HIS A 183
TYR A 139
None
1.13A 1nbhC-1wlsA:
undetectable
1nbhC-1wlsA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yw1 PROTEIN YTNJ

(Bacillus
subtilis)
PF00296
(Bac_luciferase)
5 TYR A 149
ILE A 234
VAL A 251
ASP A 250
HIS A 145
FMN  A2606 (-4.0A)
None
None
None
FMN  A2606 (-4.2A)
1.32A 1nbhC-1yw1A:
undetectable
1nbhC-1yw1A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z3v CELLULASE

(Phanerochaete
chrysosporium)
PF00840
(Glyco_hydro_7)
5 TYR A 106
GLY A 167
ALA A 162
MET A 146
SER A  36
None
1.14A 1nbhC-1z3vA:
undetectable
1nbhC-1z3vA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b6n PROTEINASE K

(Serratia sp.
GF96)
PF00082
(Peptidase_S8)
5 ILE A  10
GLY A  78
ALA A  53
SER A 211
HIS A  46
None
1.35A 1nbhC-2b6nA:
undetectable
1nbhC-2b6nA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2buj SERINE/THREONINE-PRO
TEIN KINASE 16


(Homo sapiens)
PF00069
(Pkinase)
5 ILE A 132
GLY A 222
VAL A 224
SER A 271
MET A 272
None
1.31A 1nbhC-2bujA:
undetectable
1nbhC-2bujA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dbn HYPOTHETICAL PROTEIN
YBIU


(Escherichia
coli)
PF07350
(DUF1479)
5 ILE A  90
ALA A 416
SER A 181
SER A 152
TYR A  66
None
1.25A 1nbhC-2dbnA:
undetectable
1nbhC-2dbnA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g18 PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE


(Anabaena sp.)
PF05996
(Fe_bilin_red)
5 TYR A 130
ILE A 202
VAL A 194
SER A 129
HIS A 184
None
1.30A 1nbhC-2g18A:
undetectable
1nbhC-2g18A:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE


(Homo sapiens)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 GLY A 212
VAL A 216
ALA A 208
SER A 444
HIS A 348
None
None
6NA  A1460 (-3.4A)
NH4  A1461 ( 4.4A)
None
1.33A 1nbhC-2iwzA:
undetectable
1nbhC-2iwzA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ji9 OXALYL-COA
DECARBOXYLASE


(Oxalobacter
formigenes)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 ILE A 482
SER A 422
MET A 428
TRP A 285
TYR A 483
TPW  A1554 (-4.1A)
None
TPW  A1554 (-4.0A)
None
TPW  A1554 (-4.8A)
1.09A 1nbhC-2ji9A:
3.2
1nbhC-2ji9A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nqi CALPAIN-1 CATALYTIC
SUBUNIT


(Rattus
norvegicus)
PF00648
(Peptidase_C2)
5 ILE A 238
GLY A 249
ALA A 213
SER A 211
SER A 123
None
1.26A 1nbhC-2nqiA:
undetectable
1nbhC-2nqiA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ovl PUTATIVE RACEMASE

(Streptomyces
coelicolor)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ILE A 109
VAL A 273
ASP A 272
HIS A 326
TYR A  49
None
1.19A 1nbhC-2ovlA:
undetectable
1nbhC-2ovlA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q1f CHONDROITINASE

(Bacteroides
thetaiotaomicron)
PF02278
(Lyase_8)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt)
5 TYR A 630
GLY A 698
VAL A 693
ASP A 694
HIS A 454
None
1.29A 1nbhC-2q1fA:
undetectable
1nbhC-2q1fA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qfr PURPLE ACID
PHOSPHATASE


(Phaseolus
vulgaris)
PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N)
5 TYR A 379
VAL A 324
ASP A 369
ALA A 381
SER A 330
None
1.35A 1nbhC-2qfrA:
undetectable
1nbhC-2qfrA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qzx CANDIDAPEPSIN-5

(Candida
albicans)
PF00026
(Asp)
5 ILE A  18
GLY A  21
VAL A  99
ALA A  68
SER A  69
None
1.24A 1nbhC-2qzxA:
undetectable
1nbhC-2qzxA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa)
PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc)
5 GLY A 330
VAL A  33
ASP A  31
ALA A 340
SER A 336
None
1.34A 1nbhC-2vz9A:
undetectable
1nbhC-2vz9A:
8.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wb1 DNA-DIRECTED RNA
POLYMERASE RPO4
SUBUNIT


(Sulfolobus
shibatae)
PF03874
(RNA_pol_Rpb4)
5 ILE F  86
VAL F  68
ASP F  67
ALA F  17
SER F  15
None
1.33A 1nbhC-2wb1F:
undetectable
1nbhC-2wb1F:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3awd PUTATIVE POLYOL
DEHYDROGENASE


(Gluconobacter
oxydans)
PF13561
(adh_short_C2)
5 TYR A 162
ILE A  22
GLY A 146
ALA A 167
SER A 165
None
1.21A 1nbhC-3awdA:
6.4
1nbhC-3awdA:
24.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cnj CHOLESTEROL OXIDASE

(Streptomyces
sp. SA-COO)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
5 TYR A  20
GLY A 114
VAL A  95
ALA A  23
SER A 227
FAD  A 510 (-4.5A)
FAD  A 510 (-3.0A)
None
None
None
1.10A 1nbhC-3cnjA:
undetectable
1nbhC-3cnjA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dit PROTEIN MOTHERS
AGAINST DPP


(Drosophila
melanogaster)
PF03166
(MH2)
5 ILE A 426
GLY A 323
VAL A 286
SER A 341
TYR A 266
None
1.26A 1nbhC-3ditA:
undetectable
1nbhC-3ditA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA


(Homo sapiens)
PF00104
(Hormone_recep)
PF00105
(zf-C4)
5 TYR D 327
ILE D 472
VAL D 293
ALA D 331
TYR D 473
None
1.01A 1nbhC-3dzuD:
undetectable
1nbhC-3dzuD:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gdf PROBABLE
NADP-DEPENDENT
MANNITOL
DEHYDROGENASE


(Cladosporium
herbarum)
PF13561
(adh_short_C2)
5 TYR A 175
ILE A 157
GLY A 163
ASP A 257
ALA A 166
None
1.32A 1nbhC-3gdfA:
6.6
1nbhC-3gdfA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gkb PUTATIVE ENOYL-COA
HYDRATASE


(Streptomyces
avermitilis)
PF00378
(ECH_1)
5 TYR A 199
ILE A 207
VAL A 106
ASP A 127
ALA A 131
None
1.28A 1nbhC-3gkbA:
undetectable
1nbhC-3gkbA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0l GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A


(Aquifex
aeolicus)
PF01425
(Amidase)
5 GLY A 170
VAL A 422
SER A 166
SER A 124
TYR A 303
ASN  A 901 (-3.6A)
None
None
ASN  A 901 (-3.0A)
None
1.21A 1nbhC-3h0lA:
undetectable
1nbhC-3h0lA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpf MUCONATE
CYCLOISOMERASE


(Oceanobacillus
iheyensis)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 VAL A  11
TRP A 374
SER A  44
HIS A  45
TYR A 329
None
None
None
MG  A 402 ( 3.4A)
None
1.26A 1nbhC-3hpfA:
undetectable
1nbhC-3hpfA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3icj UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE


(Pyrococcus
furiosus)
PF07969
(Amidohydro_3)
5 TYR A 221
ILE A 135
VAL A 112
ALA A 225
SER A 224
None
1.21A 1nbhC-3icjA:
undetectable
1nbhC-3icjA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jv7 ADH-A

(Rhodococcus
ruber)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 ILE A  28
GLY A  66
VAL A  68
ASP A  82
ALA A 149
None
1.32A 1nbhC-3jv7A:
6.8
1nbhC-3jv7A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k2g RESINIFERATOXIN-BIND
ING,
PHOSPHOTRIESTERASE-R
ELATED PROTEIN


(Rhodobacter
sphaeroides)
PF02126
(PTE)
5 ILE A 151
GLY A 177
SER A 179
TRP A  42
SER A 138
None
None
None
DTV  A 402 (-3.7A)
None
1.29A 1nbhC-3k2gA:
undetectable
1nbhC-3k2gA:
25.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A


(Thermus
thermophilus)
PF01425
(Amidase)
5 GLY E 164
VAL E 411
SER E 160
SER E 118
TYR E 295
None
1.18A 1nbhC-3kfuE:
undetectable
1nbhC-3kfuE:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l07 BIFUNCTIONAL PROTEIN
FOLD


(Francisella
tularensis)
PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C)
5 ILE A 231
GLY A 260
VAL A 257
ASP A 228
SER A  10
IMD  A 503 ( 4.6A)
None
None
None
None
1.20A 1nbhC-3l07A:
undetectable
1nbhC-3l07A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE


(Mycolicibacterium
smegmatis)
PF01791
(DeoC)
5 ILE A  97
VAL A 128
ALA A 209
MET A 179
SER A 192
None
None
None
None
UNL  A 301 ( 3.7A)
1.33A 1nbhC-3ndoA:
2.5
1nbhC-3ndoA:
25.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nvs 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE


(Vibrio cholerae)
PF00275
(EPSP_synthase)
5 ILE A 126
VAL A 130
ASP A 131
ALA A 181
SER A 180
None
1.19A 1nbhC-3nvsA:
undetectable
1nbhC-3nvsA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM


(Homo sapiens)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
5 ILE A 828
GLY A 790
VAL A 785
TRP A 201
HIS A 295
None
0.97A 1nbhC-3nzuA:
2.3
1nbhC-3nzuA:
15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ocr CLASS II
ALDOLASE/ADDUCIN
DOMAIN PROTEIN


(Pseudomonas
savastanoi)
PF00596
(Aldolase_II)
5 ILE A 102
VAL A  87
ASP A  88
ALA A 116
TYR A 104
None
1.17A 1nbhC-3ocrA:
undetectable
1nbhC-3ocrA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pig BETA-FRUCTOFURANOSID
ASE


(Bifidobacterium
longum)
PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C)
5 ILE A 343
GLY A 254
VAL A 252
ALA A 257
SER A 256
None
1.06A 1nbhC-3pigA:
undetectable
1nbhC-3pigA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae)
PF13649
(Methyltransf_25)
5 TYR A  14
GLY A  60
SER A  81
MET A  84
SER A 120
SAH  A 263 ( 3.9A)
SAH  A 263 (-3.3A)
SAH  A 263 (-4.7A)
SAH  A 263 (-4.5A)
SAH  A 263 (-3.3A)
0.68A 1nbhC-3px2A:
22.3
1nbhC-3px2A:
25.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE


(Tenebrio
molitor)
PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29)
5 GLY A 161
ASP A 152
ALA A  79
SER A 124
TYR A 187
None
None
PG4  A 413 (-3.6A)
None
PG4  A 414 (-4.6A)
1.20A 1nbhC-3qt4A:
undetectable
1nbhC-3qt4A:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rd5 MYPAA.01249.C

(Mycobacterium
avium)
PF00106
(adh_short)
5 GLY A 111
ASP A 104
ALA A 169
SER A 166
HIS A 117
None
1.06A 1nbhC-3rd5A:
6.5
1nbhC-3rd5A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3to3 PETROBACTIN
BIOSYNTHESIS PROTEIN
ASBB


(Bacillus
anthracis)
PF04183
(IucA_IucC)
PF06276
(FhuF)
5 ILE A 252
GLY A 364
VAL A 243
ALA A 316
TYR A 256
None
1.26A 1nbhC-3to3A:
undetectable
1nbhC-3to3A:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uwd PHOSPHOGLYCERATE
KINASE


(Bacillus
anthracis)
PF00162
(PGK)
5 ILE A 302
VAL A 264
ASP A 265
ALA A 228
TYR A 303
None
1.31A 1nbhC-3uwdA:
undetectable
1nbhC-3uwdA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v2g 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE


(Sinorhizobium
meliloti)
PF13561
(adh_short_C2)
5 TYR A 180
ILE A  43
GLY A 165
ALA A 185
SER A 183
None
1.22A 1nbhC-3v2gA:
6.5
1nbhC-3v2gA:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wwn PUTATIVE
ACETYLGLUTAMATE
KINASE-LIKE PROTEIN


(Thermus
thermophilus)
PF00696
(AA_kinase)
5 ILE A 210
GLY A 195
VAL A 207
ALA A 251
SER A 191
None
1.27A 1nbhC-3wwnA:
undetectable
1nbhC-3wwnA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wyh LYSOZYME G

(Struthio
camelus)
PF01464
(SLT)
5 TYR A 169
VAL A   8
ASP A  62
ALA A 146
SER A 145
TAM  A 201 ( 4.5A)
None
None
None
None
1.30A 1nbhC-3wyhA:
undetectable
1nbhC-3wyhA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a9a RIBOSOME-INTERACTING
GTPASE 1


(Saccharomyces
cerevisiae)
PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn)
5 ILE A 122
GLY A  69
VAL A  71
ALA A  66
SER A  67
None
1.05A 1nbhC-4a9aA:
undetectable
1nbhC-4a9aA:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bpc RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S


(Homo sapiens)
PF00102
(Y_phosphatase)
5 ILE A1727
GLY A1732
VAL A1730
ALA A1700
SER A1699
None
1.11A 1nbhC-4bpcA:
undetectable
1nbhC-4bpcA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4y SHORT CHAIN
DEHYDROGENASE FAMILY
PROTEIN


(Francisella
tularensis)
PF13561
(adh_short_C2)
5 TYR A 137
ILE A 212
GLY A 123
VAL A 165
SER A 140
GOL  A 306 (-4.8A)
None
None
None
None
1.33A 1nbhC-4e4yA:
undetectable
1nbhC-4e4yA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fgs PROBABLE
DEHYDROGENASE
PROTEIN


(Rhizobium etli)
PF13561
(adh_short_C2)
5 TYR A 151
ILE A  19
GLY A 137
ALA A 156
SER A 154
None
1.18A 1nbhC-4fgsA:
7.5
1nbhC-4fgsA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i6f SERINE/THREONINE-PRO
TEIN KINASE PLK2


(Homo sapiens)
PF00069
(Pkinase)
5 ILE A 189
GLY A 267
VAL A 269
SER A 313
MET A 314
None
1.21A 1nbhC-4i6fA:
undetectable
1nbhC-4i6fA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans)
PF08241
(Methyltransf_11)
5 TYR A 187
GLY A 234
SER A 256
MET A 259
HIS A 303
SAH  A 501 ( 4.1A)
SAH  A 501 (-3.6A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.9A)
SAH  A 501 (-4.0A)
0.61A 1nbhC-4ineA:
17.9
1nbhC-4ineA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4it1 PUTATIVE GLUCARATE
DEHYDRATASE


(Pseudomonas
fluorescens)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ILE A 367
VAL A 372
SER A 318
SER A 321
HIS A 320
None
1.35A 1nbhC-4it1A:
undetectable
1nbhC-4it1A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iw7 8-AMINO-7-OXONONANOA
TE SYNTHASE


(Francisella
tularensis)
PF00155
(Aminotran_1_2)
5 ILE A 103
VAL A 215
ASP A 185
ALA A 175
TYR A 104
None
1.21A 1nbhC-4iw7A:
undetectable
1nbhC-4iw7A:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jd0 NUCLEOTIDYL
TRANSFERASE


(Thermotoga
maritima)
PF00483
(NTP_transferase)
5 ILE A 152
GLY A 156
VAL A 145
ASP A 166
SER A 190
None
PO4  A 306 (-3.4A)
None
1KH  A 301 ( 2.6A)
NA  A 312 ( 2.8A)
1.24A 1nbhC-4jd0A:
undetectable
1nbhC-4jd0A:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2


(Haemonchus
contortus)
PF08241
(Methyltransf_11)
5 TYR A 183
GLY A 230
SER A 252
MET A 255
HIS A 299
SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-4.2A)
0.67A 1nbhC-4kriA:
18.3
1nbhC-4kriA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE


(Thermomonospora
curvata)
PF00682
(HMGL-like)
PF07836
(DmpG_comm)
5 ILE A 195
GLY A 166
ASP A 164
ALA A 132
SER A 126
None
1.31A 1nbhC-4lrsA:
undetectable
1nbhC-4lrsA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mf9 HEMIN DEGRADING
FACTOR


(Pseudomonas
aeruginosa)
PF05171
(HemS)
5 GLY A  42
VAL A 144
ASP A 140
ALA A 174
SER A  47
None
1.11A 1nbhC-4mf9A:
undetectable
1nbhC-4mf9A:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mou ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN


(Paenarthrobacter
aurescens)
PF00378
(ECH_1)
5 ILE A 150
GLY A 155
ALA A 128
SER A 127
SER A  97
None
1.20A 1nbhC-4mouA:
undetectable
1nbhC-4mouA:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mup AMIDOHYDROLASE

(Agrobacterium
fabrum)
PF04909
(Amidohydro_2)
5 ILE A 181
GLY A 175
ASP A 151
ALA A 205
SER A 210
None
1.35A 1nbhC-4mupA:
undetectable
1nbhC-4mupA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n6f PUTATIVE THIOSUGAR
SYNTHASE


(Amycolatopsis
orientalis)
PF05690
(ThiG)
5 ILE A 180
GLY A 195
VAL A 193
ALA A 169
SER A 170
None
F6R  A 304 (-3.5A)
None
F6R  A 304 (-4.7A)
None
1.23A 1nbhC-4n6fA:
undetectable
1nbhC-4n6fA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p74 PHENYLALANINE--TRNA
LIGASE ALPHA SUBUNIT


(Pseudomonas
aeruginosa)
PF01409
(tRNA-synt_2d)
5 ILE C  37
GLY C 228
VAL C 130
ALA C 176
MET C 202
None
2U9  C 301 (-3.6A)
None
None
None
1.20A 1nbhC-4p74C:
undetectable
1nbhC-4p74C:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pdx PUTATIVE
ALKYL/ARYL-SULFATASE
YJCS


(Escherichia
coli)
PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C)
5 VAL A 152
ASP A 132
ALA A 309
HIS A 317
TYR A 234
None
None
None
SO4  A 701 (-4.3A)
None
1.08A 1nbhC-4pdxA:
undetectable
1nbhC-4pdxA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q80 SERINE PROTEASE 57

(Homo sapiens)
PF00089
(Trypsin)
5 ILE A  16
GLY A 197
VAL A 138
SER A  54
HIS A  57
None
None
None
None
2YS  A 304 (-2.6A)
1.23A 1nbhC-4q80A:
undetectable
1nbhC-4q80A:
24.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rf3 NADPH DEPENDENT
R-SPECIFIC ALCOHOL
DEHYDROGENASE


(Lactobacillus
kefiri)
PF13561
(adh_short_C2)
5 TYR A 156
GLY A 146
ALA A 158
SER A 159
TYR A 190
None
1.33A 1nbhC-4rf3A:
6.4
1nbhC-4rf3A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tkm NADH-DEPENDENT
REDUCTASE FOR
4-DEOXY-L-ERYTHRO-5-
HEXOSEULOSE URONATE


(Sphingomonas
sp. A1)
PF13561
(adh_short_C2)
5 TYR A 164
ILE A  19
GLY A 149
ALA A 169
SER A 167
None
SO4  A 303 (-3.5A)
None
None
None
1.24A 1nbhC-4tkmA:
6.8
1nbhC-4tkmA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xvo L,D-TRANSPEPTIDASE

(Mycolicibacterium
smegmatis)
PF03734
(YkuD)
5 ILE A 188
GLY A 161
ALA A 158
SER A 159
HIS A 216
None
None
None
None
PO4  A 501 (-4.0A)
1.32A 1nbhC-4xvoA:
undetectable
1nbhC-4xvoA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b3g PROTEIN SHORT-ROOT

(Arabidopsis
thaliana)
PF03514
(GRAS)
5 ILE B 513
GLY B 238
VAL B 490
TRP B 269
TYR B 482
None
1.26A 1nbhC-5b3gB:
9.1
1nbhC-5b3gB:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dbt DEOXYRIBOSE-PHOSPHAT
E ALDOLASE


(Streptococcus
suis)
PF01791
(DeoC)
5 ILE A  92
VAL A 123
ALA A 199
MET A 169
SER A 182
None
1.31A 1nbhC-5dbtA:
undetectable
1nbhC-5dbtA:
25.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5epo 7-ALPHA-HYDROXYSTERO
ID DEYDROGENASE


(Clostridium
sardiniense)
PF13561
(adh_short_C2)
5 ILE A 165
VAL A 121
ALA A  23
SER A  22
SER A  13
None
None
None
None
NAP  A 301 (-3.0A)
1.34A 1nbhC-5epoA:
6.7
1nbhC-5epoA:
24.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fub PROTEIN ARGININE
METHYLTRANSFERASE 2


(Danio rerio)
PF13649
(Methyltransf_25)
5 TYR A  84
GLY A 125
VAL A 128
ALA A 147
SER A 148
SAH  A 409 ( 3.6A)
SAH  A 409 ( 3.7A)
None
SAH  A 409 (-3.5A)
SAH  A 409 ( 4.2A)
0.72A 1nbhC-5fubA:
8.2
1nbhC-5fubA:
23.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE


(Methanohalophilus
portucalensis)
PF13649
(Methyltransf_25)
5 GLY A  69
SER A  90
MET A  93
TRP A 115
SER A 135
SAH  A 301 (-3.3A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.6A)
SAH  A 301 (-3.1A)
0.67A 1nbhC-5h02A:
26.2
1nbhC-5h02A:
30.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ipy FLAVIN-CONTAINING
MONOOXYGENASE


(Roseovarius
nubinhibens)
PF00743
(FMO-like)
5 TYR A 417
ILE A 370
GLY A  74
SER A  96
HIS A 404
None
1.19A 1nbhC-5ipyA:
undetectable
1nbhC-5ipyA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k6o B-GLUCOSIDASE

(metagenome)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
5 ILE A 656
GLY A 257
ALA A 230
SER A 238
TYR A 657
None
1.34A 1nbhC-5k6oA:
undetectable
1nbhC-5k6oA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ksh PENICILLIN-BINDING
PROTEIN 2


(Neisseria
gonorrhoeae)
PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
5 ILE A 179
GLY A  76
VAL A  78
ALA A  73
TYR A 169
None
1.34A 1nbhC-5kshA:
undetectable
1nbhC-5kshA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lx0 DIPEPTIDASE

(Aspergillus
fumigatus)
PF01244
(Peptidase_M19)
5 ILE A  38
VAL A  97
ASP A  96
ALA A 112
SER A 129
None
1.23A 1nbhC-5lx0A:
undetectable
1nbhC-5lx0A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nit GLUCOSE OXIDASE

(Aspergillus
niger)
no annotation 5 ILE A 551
GLY A 530
VAL A 532
ASP A 533
ALA A 391
None
None
None
None
NAG  A 609 (-3.5A)
1.34A 1nbhC-5nitA:
undetectable
1nbhC-5nitA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5opt 40S RIBOSOMAL
PROTEIN S26
40S RIBOSOMAL
PROTEIN S3A-2


(Trypanosoma
cruzi;
Trypanosoma
cruzi)
no annotation
no annotation
5 TYR T  62
GLY T  65
ALA T  56
SER T  59
TYR W  83
None
1.25A 1nbhC-5optT:
undetectable
1nbhC-5optT:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2w SHORT CHAIN
DEHYDROGENASE


(Burkholderia
cenocepacia)
PF00106
(adh_short)
5 TYR A 155
ILE A  18
GLY A 140
ALA A 160
SER A 158
IMD  A 304 ( 4.3A)
NAP  A 301 (-4.0A)
None
None
None
1.21A 1nbhC-5u2wA:
5.9
1nbhC-5u2wA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v12 HERCYNYLCYSTEINE
SULFOXIDE LYASE


(Neurospora
crassa)
no annotation 5 GLY C 199
VAL C 194
ALA C 437
MET C 197
SER C 440
None
None
None
FMT  C 501 ( 4.9A)
None
1.31A 1nbhC-5v12C:
undetectable
1nbhC-5v12C:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vl1 LYSINE--TRNA LIGASE

(Mycobacterium
ulcerans)
PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
5 TYR A 116
ILE A  43
GLY A 119
VAL A 121
ASP A  58
None
1.10A 1nbhC-5vl1A:
undetectable
1nbhC-5vl1A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1


(Arabidopsis
thaliana)
no annotation 5 TYR A 246
GLY A 292
SER A 314
MET A 317
HIS A 360
SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
SAH  A 703 (-4.0A)
0.81A 1nbhC-5wp4A:
17.4
1nbhC-5wp4A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii)
no annotation 5 ILE A 694
GLY A 286
ALA A 259
SER A 267
TYR A 695
None
1.35A 1nbhC-5wugA:
undetectable
1nbhC-5wugA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fwf NITRIC-OXIDE
REDUCTASE


(Neisseria
meningitidis)
no annotation 5 GLY A 547
VAL A  29
ALA A 200
SER A 199
TRP A 215
None
1.33A 1nbhC-6fwfA:
undetectable
1nbhC-6fwfA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wti CRISPR-ASSOCIATED
PROTEIN


(Bacillus
thermoamylovorans)
no annotation 4 TRP Z 850
ARG Z 791
ASP Z 574
ASN Z 954
None
None
MG  Z1202 (-2.3A)
None
1.49A 1nbhC-5wtiZ:
1.8
1nbhC-5wtiZ:
13.74